Toward understanding the vibrational spectra of BEDT-TTF, a scaled density functional force field approach
Author:
Publisher
Elsevier BV
Subject
Spectroscopy,Instrumentation,Atomic and Molecular Physics, and Optics,Analytical Chemistry
Reference33 articles.
1. Electron-transfer boat-vibration mechanism for superconductivity in organic molecules based on BEDT-TTF
2. The assignment of fundamental vibrations of BEDT-TTF and BEDT-TTF-d8
3. The assignment of the normal modes of the BEDT-TTF electron-donor molecule using the infrared and Raman spectra of several isotopic analogs
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1. Effect of chlorine and bromine on the nonlinear optical, electronic, optoelectronic and thermodynamic properties on the BEDT-TTF molecule: ab-initio and DFT calculations;Optical and Quantum Electronics;2021-09-09
2. Ab initio investigation of nonlinear optical, electronic, and thermodynamic properties of BEDT-TTF molecule: doping with boron;Heliyon;2021-07
3. Infrared Investigations of the Neutral-Ionic Phase Transition in TTF-CA and Its Dynamics;Crystals;2017-01-07
4. Molecular modeling, spectroscopic signature and NBO analysis of some building blocks of organic conductors;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2014-11
5. Ab initio determination of geometries and vibrational characteristics of building blocks of organic super-conductors: TTF and its derivatives;Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy;2012-12
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